#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k5d h HIS 23 N 0.00 1.06 -0.11 3.10 2.76 -2.14 -3.43 115.15 116.39 1k5d h HIS 23 Ca 0.00 -0.28 0.16 0.00 -2.20 0.00 0.00 60.37 58.05 1k5d h HIS 23 Cb 0.00 -0.24 -0.17 0.00 1.55 0.00 0.00 27.41 28.55 1k5d h HIS 23 CO 0.00 1.08 -0.05 0.34 -1.30 0.00 0.00 177.93 178.00 1k5d s ASP 24 N -6.79 -0.17 0.37 3.26 2.15 -1.26 -5.15 116.67 109.08 1k5d s ASP 24 Ca -0.11 -0.08 -0.27 0.00 0.43 0.00 0.00 52.55 52.53 1k5d s ASP 24 Cb 0.12 0.31 -0.12 0.00 -0.30 0.00 0.00 42.92 42.94 1k5d s ASP 24 CO 0.87 -0.02 1.23 -2.65 -0.17 0.00 0.00 175.17 174.42 1k5d n PRO 25 N 3.75 1.91 -4.75 4.34 -0.02 -1.26 -4.99 135.00 133.98 1k5d n PRO 25 Ca 0.05 0.67 -0.33 0.00 -2.02 0.00 0.00 63.50 61.88 1k5d n PRO 25 Cb 0.64 -2.27 -0.13 0.00 -0.02 0.00 0.00 33.50 31.71 1k5d n PRO 25 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 1k5d s GLN 26 N -1.96 3.14 0.07 -0.52 2.00 -1.26 -5.12 119.66 116.01 1k5d s GLN 26 Ca 0.58 -0.66 -0.00 0.00 -2.00 0.00 0.00 55.36 53.28 1k5d s GLN 26 Cb -0.56 -2.60 -0.04 0.00 0.80 0.00 0.00 33.01 30.61 1k5d s GLN 26 CO 0.60 0.36 -0.03 -0.06 -0.50 0.00 0.00 175.29 175.66 1k5d s PHE 27 N -0.03 0.63 -0.08 1.67 0.40 -1.26 -5.14 117.98 114.17 1k5d s PHE 27 Ca -0.02 -1.05 -0.18 0.00 -0.60 0.00 0.00 56.93 55.08 1k5d s PHE 27 Cb -0.14 -0.43 -0.05 0.00 0.51 0.00 0.00 43.02 42.92 1k5d s PHE 27 CO 0.04 -0.34 0.47 -1.83 0.70 0.00 0.00 175.22 174.26 1k5d s GLU 28 N -3.91 4.25 0.56 0.44 -1.05 -1.26 -5.04 118.70 112.69 1k5d s GLU 28 Ca 0.09 0.47 -0.20 0.00 -0.15 0.00 0.00 54.97 55.18 1k5d s GLU 28 Cb 0.07 -3.38 -0.06 0.00 -0.44 0.00 0.00 34.13 30.33 1k5d s GLU 28 CO -0.08 0.31 1.01 -2.30 0.95 0.00 0.00 175.26 175.15 1k5d n PRO 29 N 3.13 1.07 -0.00 -4.83 -0.02 -1.26 -4.93 135.00 128.16 1k5d n PRO 29 Ca -0.09 0.40 -0.01 0.00 -2.02 0.00 0.00 63.50 61.79 1k5d n PRO 29 Cb 0.52 -2.18 -0.11 0.00 -0.02 0.00 0.00 33.50 31.70 1k5d n PRO 29 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 1k5d n ILE 30 N -1.42 1.07 -4.05 4.25 5.41 -1.26 -4.98 119.36 118.39 1k5d n ILE 30 Ca 0.12 -0.70 -0.09 0.00 1.00 0.00 0.00 62.75 63.08 1k5d n ILE 30 Cb 0.45 -0.58 -0.09 0.00 -0.71 0.00 0.00 39.64 38.71 1k5d n ILE 30 CO 0.00 0.00 0.00 0.68 0.00 0.00 0.00 176.55 177.23 1k5d s VAL 31 N -2.91 0.11 -0.19 1.39 -7.23 -1.26 -5.14 120.40 105.17 1k5d s VAL 31 Ca -0.05 -1.65 0.01 0.00 -1.81 0.00 0.00 61.98 58.48 1k5d s VAL 31 Cb 0.09 -1.83 0.04 0.00 0.56 0.00 0.00 36.38 35.23 1k5d s VAL 31 CO 0.83 -0.50 -0.12 -0.55 -0.31 0.00 0.00 175.10 174.45 1k5d s SER 32 N -2.98 3.22 -0.13 4.85 0.15 -1.26 -5.12 113.70 112.43 1k5d s SER 32 Ca 0.17 -0.78 0.03 0.00 0.70 0.00 0.00 55.95 56.07 1k5d s SER 32 Cb 0.06 -1.24 0.00 0.00 -1.71 0.00 0.00 66.02 63.14 1k5d s SER 32 CO -0.02 -0.12 -0.22 -0.76 1.20 0.00 0.00 173.24 173.33 1k5d s LEU 33 N 1.41 2.16 0.71 3.45 1.43 -1.26 -5.12 118.68 121.46 1k5d s LEU 33 Ca 0.01 -0.57 -0.15 0.00 -1.03 0.00 0.00 54.13 52.39 1k5d s LEU 33 Cb -0.15 -1.45 0.03 0.00 0.03 0.00 0.00 46.19 44.65 1k5d s LEU 33 CO -0.09 0.11 1.20 -2.84 0.23 0.00 0.00 176.35 174.96 1k5d s PRO 34 N 0.63 2.26 0.44 1.29 0.02 -1.26 -4.96 135.00 133.43 1k5d s PRO 34 Ca -0.11 1.75 -0.25 0.00 0.02 0.00 0.00 61.00 62.40 1k5d s PRO 34 Cb -0.16 -1.85 -0.08 0.00 0.02 0.00 0.00 34.50 32.42 1k5d s PRO 34 CO 0.02 -1.74 1.39 -2.00 -0.33 0.00 0.00 177.00 174.35 1k5d s GLU 35 N -3.87 3.74 0.02 5.54 2.56 -1.26 -5.00 118.70 120.43 1k5d s GLU 35 Ca 0.74 2.35 -0.01 0.00 0.00 0.00 0.00 54.97 58.05 1k5d s GLU 35 Cb -0.29 -2.67 -0.02 0.00 2.00 0.00 0.00 34.13 33.16 1k5d s GLU 35 CO 0.44 -0.75 -0.01 -1.14 -0.56 0.00 0.00 175.26 173.24 1k5d s GLN 36 N -2.42 0.36 -0.35 4.30 0.74 -1.26 -5.13 119.66 115.91 1k5d s GLN 36 Ca 0.60 -0.65 -0.05 0.00 0.05 0.00 0.00 55.36 55.31 1k5d s GLN 36 Cb -0.42 0.13 0.05 0.00 1.10 0.00 0.00 33.01 33.87 1k5d s GLN 36 CO 0.54 -0.06 0.11 -1.21 -0.55 0.00 0.00 175.29 174.12 1k5d s GLU 37 N -1.71 2.50 -0.01 1.67 2.02 -1.26 -5.09 118.70 116.82 1k5d s GLU 37 Ca -0.14 -1.31 -0.11 0.00 0.02 0.00 0.00 54.97 53.44 1k5d s GLU 37 Cb -0.08 -3.44 -0.05 0.00 0.10 0.00 0.00 34.13 30.65 1k5d s GLU 37 CO -0.02 -0.74 0.32 0.96 0.02 0.00 0.00 175.26 175.81 1k5d s ILE 38 N 1.34 5.19 0.19 -1.63 -4.36 -1.26 -5.08 121.20 115.59 1k5d s ILE 38 Ca -0.01 0.51 -0.11 0.00 -0.26 0.00 0.00 60.65 60.78 1k5d s ILE 38 Cb -0.20 -3.61 -0.07 0.00 1.25 0.00 0.00 42.46 39.83 1k5d s ILE 38 CO 0.01 0.50 0.54 -0.54 0.24 0.00 0.00 174.94 175.68 1k5d s LYS 39 N -1.35 3.85 0.38 0.37 -0.14 -1.26 -4.98 119.74 116.62 1k5d s LYS 39 Ca 0.24 0.33 0.22 0.00 -1.36 0.00 0.00 55.97 55.39 1k5d s LYS 39 Cb -0.15 -2.76 0.25 0.00 -1.68 0.00 0.00 37.83 33.50 1k5d s LYS 39 CO 0.13 0.38 1.51 1.15 -0.76 0.00 0.00 175.35 177.76 1k5d h THR 40 N 2.30 0.14 -5.22 2.17 2.02 -2.04 -3.47 112.91 108.82 1k5d h THR 40 Ca -0.47 -1.21 -0.34 0.00 0.77 0.00 0.00 66.41 65.16 1k5d h THR 40 Cb 1.18 2.01 0.13 0.00 -1.74 0.00 0.00 68.15 69.73 1k5d h THR 40 CO 0.68 0.08 -0.60 0.18 0.37 0.00 0.00 175.52 176.23 1k5d n LEU 41 N -3.07 -3.31 -0.56 2.58 4.32 -1.26 -4.86 117.00 110.84 1k5d n LEU 41 Ca 0.03 -0.48 -0.00 0.00 -0.02 0.00 0.00 56.01 55.54 1k5d n LEU 41 Cb 0.57 -2.72 -0.00 0.00 -1.62 0.00 0.00 43.42 39.64 1k5d n LEU 41 CO 0.36 0.54 0.25 1.21 -1.22 0.00 0.00 177.39 178.52 1k5d n GLU 42 N -4.32 0.00 0.10 3.23 2.13 -1.26 -4.91 120.64 115.60 1k5d n GLU 42 Ca -0.03 -0.61 -0.18 0.00 0.66 0.00 0.00 57.16 57.00 1k5d n GLU 42 Cb 0.57 -0.23 -0.14 0.00 0.27 0.00 0.00 31.44 31.90 1k5d n GLU 42 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 1k5d h GLU 43 N 0.04 0.32 -0.95 5.31 3.07 -1.99 -3.04 114.58 117.33 1k5d h GLU 43 Ca -0.03 -0.55 -0.00 0.00 -0.50 0.00 0.00 59.36 58.27 1k5d h GLU 43 Cb 1.25 0.21 -0.00 0.00 -0.84 0.00 0.00 28.75 29.36 1k5d h GLU 43 CO -0.01 1.24 0.00 -0.25 -1.40 0.00 0.00 179.01 178.59 1k5d n ASP 44 N -3.55 1.65 0.00 1.42 9.92 -1.26 -4.81 116.55 119.93 1k5d n ASP 44 Ca -0.13 -2.12 0.00 0.00 -0.53 0.00 0.00 54.79 52.01 1k5d n ASP 44 Cb 1.05 -0.52 0.00 0.00 -0.64 0.00 0.00 41.12 41.01 1k5d n ASP 44 CO 0.00 0.00 0.00 -1.84 0.13 0.00 0.00 177.20 175.49 1k5d n GLU 45 N 0.09 3.37 0.00 -1.24 0.28 -1.15 -3.51 120.64 118.48 1k5d n GLU 45 Ca 0.04 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.04 1k5d n GLU 45 Cb 0.38 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.25 1k5d n GLU 45 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 1k5d n GLU 46 N 0.00 0.00 -1.25 3.44 0.00 -1.25 -3.94 120.64 117.64 1k5d n GLU 46 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 1k5d n GLU 46 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.44 1k5d n GLU 46 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22 1k5d n GLU 47 N 0.00 0.00 0.06 5.31 2.13 -1.24 -4.96 120.64 121.94 1k5d n GLU 47 Ca 0.00 0.42 -0.14 0.00 0.66 0.00 0.00 57.16 58.09 1k5d n GLU 47 Cb 0.00 -1.18 -0.14 0.00 0.27 0.00 0.00 31.44 30.39 1k5d n GLU 47 CO 0.00 0.00 0.00 -0.07 -0.41 0.00 0.00 177.13 176.65 1k5d h LEU 48 N 0.00 0.29 -7.73 4.31 3.38 -1.60 -3.47 115.31 110.48 1k5d h LEU 48 Ca 0.00 -0.40 -0.21 0.00 0.09 0.00 0.00 57.88 57.37 1k5d h LEU 48 Cb 0.00 -0.09 -0.26 0.00 0.09 0.00 0.00 40.66 40.39 1k5d h LEU 48 CO 0.00 1.33 -0.66 0.12 0.09 0.00 0.00 178.44 179.32 1k5d s PHE 49 N -2.63 0.00 -0.13 1.13 5.36 -1.23 -4.96 117.98 115.52 1k5d s PHE 49 Ca -0.07 0.01 -0.06 0.00 -0.96 0.00 0.00 56.93 55.85 1k5d s PHE 49 Cb 0.07 -0.02 0.06 0.00 -0.34 0.00 0.00 43.02 42.79 1k5d s PHE 49 CO 0.85 -0.07 0.30 0.21 -1.46 0.00 0.00 175.22 175.05 1k5d s LYS 50 N -0.29 0.24 -0.28 10.12 2.20 -1.26 -0.87 119.74 129.60 1k5d s LYS 50 Ca -0.03 0.68 -0.24 0.00 -0.36 0.00 0.00 55.97 56.01 1k5d s LYS 50 Cb -0.02 -0.04 0.12 0.00 -1.51 0.00 0.00 37.83 36.37 1k5d s LYS 50 CO -0.00 -0.20 0.98 1.41 -0.36 0.00 0.00 175.35 177.18 1k5d s MET 51 N 1.68 0.54 0.49 4.03 1.75 -0.64 -4.96 119.30 122.19 1k5d s MET 51 Ca -0.06 0.67 -0.23 0.00 -1.25 0.00 0.00 55.69 54.81 1k5d s MET 51 Cb -0.10 0.25 -0.07 0.00 2.84 0.00 0.00 34.83 37.74 1k5d s MET 51 CO -0.10 -0.07 1.27 -2.13 -0.65 0.00 0.00 175.02 173.34 1k5d n ARG 52 N 2.44 1.73 -3.65 4.11 3.00 -1.26 -0.79 116.66 122.24 1k5d n ARG 52 Ca -0.13 0.63 0.01 0.00 -0.00 0.00 0.00 57.85 58.36 1k5d n ARG 52 Cb 0.56 -2.43 -0.00 0.00 0.00 0.00 0.00 32.46 30.58 1k5d n ARG 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1k5d s ALA 53 N -1.27 -2.22 -0.13 5.13 0.00 0.23 -4.73 121.76 118.77 1k5d s ALA 53 Ca 0.67 0.61 0.03 0.00 0.00 0.00 0.00 51.96 53.27 1k5d s ALA 53 Cb -0.46 0.41 0.01 0.00 0.00 0.00 0.00 23.12 23.08 1k5d s ALA 53 CO 0.54 -1.06 -0.22 0.21 0.00 0.00 0.00 175.76 175.23 1k5d s LYS 54 N -2.44 2.95 0.06 0.00 2.20 -0.91 -0.39 119.74 121.22 1k5d s LYS 54 Ca 0.15 -0.83 0.00 0.00 -0.36 0.00 0.00 55.97 54.93 1k5d s LYS 54 Cb 0.04 -2.36 -0.04 0.00 -1.51 0.00 0.00 37.83 33.96 1k5d s LYS 54 CO -0.03 0.01 0.21 -1.17 -0.36 0.00 0.00 175.35 174.01 1k5d s LEU 55 N 0.76 4.36 -0.02 5.43 2.96 0.19 -1.32 118.68 131.04 1k5d s LEU 55 Ca -0.09 0.27 0.03 0.00 -0.22 0.00 0.00 54.13 54.12 1k5d s LEU 55 Cb -0.16 -2.96 -0.01 0.00 0.50 0.00 0.00 46.19 43.57 1k5d s LEU 55 CO -0.00 0.17 -0.12 -0.36 -1.32 0.00 0.00 176.35 174.72 1k5d s PHE 56 N -1.51 1.10 0.21 5.38 0.40 0.11 -1.09 117.98 122.58 1k5d s PHE 56 Ca 0.35 -0.24 0.00 0.00 -0.60 0.00 0.00 56.93 56.45 1k5d s PHE 56 Cb -0.13 -0.73 -0.04 0.00 0.51 0.00 0.00 43.02 42.63 1k5d s PHE 56 CO 0.28 -0.05 0.38 0.50 0.70 0.00 0.00 175.22 177.03 1k5d s ARG 57 N -0.13 3.50 -0.10 0.44 3.00 0.72 -2.16 118.95 124.23 1k5d s ARG 57 Ca 0.02 -0.41 0.02 0.00 -1.00 0.00 0.00 55.73 54.36 1k5d s ARG 57 Cb -0.06 -2.85 -0.02 0.00 0.00 0.00 0.00 34.95 32.02 1k5d s ARG 57 CO -0.00 0.40 -0.16 0.12 0.00 0.00 0.00 175.30 175.66 1k5d s PHE 58 N -1.89 2.70 0.00 5.12 2.19 -1.08 -1.74 117.98 123.28 1k5d s PHE 58 Ca 0.38 -0.58 0.00 0.00 0.33 0.00 0.00 56.93 57.06 1k5d s PHE 58 Cb -0.11 -1.74 0.00 0.00 -1.31 0.00 0.00 43.02 39.86 1k5d s PHE 58 CO 0.29 -0.13 0.00 0.00 1.83 0.00 0.00 175.22 177.21 1k5d n ALA 59 N 3.13 0.00 0.00 11.12 0.00 0.47 -4.83 120.51 130.40 1k5d n ALA 59 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.26 1k5d n ALA 59 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 1k5d n ALA 59 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1k5d n SER 60 N 0.00 0.00 -1.15 0.00 2.88 -1.26 -4.86 113.62 109.23 1k5d n SER 60 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1k5d n SER 60 Cb 0.00 0.00 0.15 0.00 -0.75 0.00 0.00 64.21 63.61 1k5d n SER 60 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 1k5d n GLU 61 N 0.00 2.40 0.13 -1.46 4.07 -1.26 -4.04 120.64 120.48 1k5d n GLU 61 Ca 0.00 -1.27 -0.00 0.00 -0.06 0.00 0.00 57.16 55.82 1k5d n GLU 61 Cb 0.00 -1.75 0.10 0.00 -0.06 0.00 0.00 31.44 29.72 1k5d n GLU 61 CO 0.00 0.00 0.00 -0.91 -0.06 0.00 0.00 177.13 176.16 1k5d h ASN 62 N 1.40 0.00 0.00 4.31 4.21 -1.99 -3.46 115.58 120.05 1k5d h ASN 62 Ca 0.05 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.56 1k5d h ASN 62 Cb 1.23 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.43 1k5d h ASN 62 CO 0.25 0.65 0.00 0.47 -1.29 0.00 0.00 177.43 177.50 1k5d n ASP 63 N -3.48 -0.04 -3.59 5.81 9.92 -1.26 -4.87 116.55 119.04 1k5d n ASP 63 Ca 0.00 0.00 -0.30 0.00 -0.53 0.00 0.00 54.79 53.97 1k5d n ASP 63 Cb 0.71 -0.99 -0.07 0.00 -0.64 0.00 0.00 41.12 40.12 1k5d n ASP 63 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 1k5d n LEU 64 N 0.00 4.02 -4.13 0.64 7.99 -1.26 -5.05 117.00 119.21 1k5d n LEU 64 Ca 0.00 -5.37 -0.54 0.00 -0.01 0.00 0.00 56.01 50.09 1k5d n LEU 64 Cb 0.00 -0.78 -0.12 0.00 -0.11 0.00 0.00 43.42 42.41 1k5d n LEU 64 CO 0.00 1.95 1.77 -2.65 -1.51 0.00 0.00 177.39 176.94 1k5d n PRO 65 N 1.12 0.00 -3.88 3.23 -0.02 -1.26 -4.86 135.00 129.33 1k5d n PRO 65 Ca 0.28 0.00 -0.10 0.00 -2.02 0.00 0.00 63.50 61.66 1k5d n PRO 65 Cb 0.39 -1.44 -0.09 0.00 -0.02 0.00 0.00 33.50 32.34 1k5d n PRO 65 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 1k5d s GLU 66 N 6.39 0.67 -0.37 -0.52 2.02 -1.26 -4.93 118.70 120.70 1k5d s GLU 66 Ca 1.19 -0.72 -0.16 0.00 0.02 0.00 0.00 54.97 55.30 1k5d s GLU 66 Cb -1.39 0.27 -0.00 0.00 0.10 0.00 0.00 34.13 33.11 1k5d s GLU 66 CO 0.60 -0.19 0.38 -1.58 0.02 0.00 0.00 175.26 174.50 1k5d s TRP 67 N -2.74 3.20 -0.14 1.61 0.52 -1.26 0.18 118.94 120.31 1k5d s TRP 67 Ca -0.04 -0.13 -0.07 0.00 0.02 0.00 0.00 56.10 55.88 1k5d s TRP 67 Cb -0.00 -2.73 -0.04 0.00 -1.15 0.00 0.00 33.47 29.54 1k5d s TRP 67 CO -0.05 -0.51 0.13 0.15 0.02 0.00 0.00 176.95 176.69 1k5d s LYS 68 N 2.05 3.58 0.37 4.98 1.02 -0.71 -4.94 119.74 126.08 1k5d s LYS 68 Ca 0.12 -0.16 -0.27 0.00 0.02 0.00 0.00 55.97 55.67 1k5d s LYS 68 Cb -0.17 -3.22 -0.10 0.00 -0.52 0.00 0.00 37.83 33.83 1k5d s LYS 68 CO 0.12 0.68 1.33 -1.21 -0.92 0.00 0.00 175.35 175.35 1k5d s GLU 69 N -0.74 4.14 -0.00 1.68 2.02 -1.26 -0.20 118.70 124.34 1k5d s GLU 69 Ca 0.13 2.24 0.05 0.00 0.02 0.00 0.00 54.97 57.41 1k5d s GLU 69 Cb -0.12 -2.91 -0.07 0.00 0.10 0.00 0.00 34.13 31.13 1k5d s GLU 69 CO 0.03 -0.38 0.12 -2.13 0.02 0.00 0.00 175.26 172.92 1k5d n ARG 70 N 0.44 1.43 0.00 1.61 3.00 -0.25 -4.69 116.66 118.19 1k5d n ARG 70 Ca 0.02 -0.03 0.00 0.00 -0.00 0.00 0.00 57.85 57.84 1k5d n ARG 70 Cb 0.42 -1.01 0.00 0.00 0.00 0.00 0.00 32.46 31.87 1k5d n ARG 70 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1k5d n GLY 71 N 1.97 3.42 3.00 5.14 0.00 -1.18 -4.83 105.19 112.70 1k5d n GLY 71 Ca -0.00 -0.79 -0.28 0.00 0.00 0.00 0.00 46.02 44.95 1k5d n GLY 71 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1k5d s THR 72 N -2.00 1.35 -1.39 2.61 2.01 -1.26 0.54 115.64 117.49 1k5d s THR 72 Ca 0.00 -0.52 0.00 0.00 0.31 0.00 0.00 61.69 61.48 1k5d s THR 72 Cb 0.00 -1.28 0.00 0.00 0.01 0.00 0.00 72.50 71.23 1k5d s THR 72 CO 0.00 0.42 0.00 0.61 -0.69 0.00 0.00 174.62 174.96 1k5d n GLY 73 N 4.57 -0.63 3.65 4.40 0.00 0.48 -2.05 105.19 115.61 1k5d n GLY 73 Ca -0.17 -0.57 -0.40 0.00 0.00 0.00 0.00 46.02 44.88 1k5d n GLY 73 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1k5d s ASP 74 N -4.00 6.55 0.27 1.61 -0.00 -1.25 0.77 116.67 120.62 1k5d s ASP 74 Ca 0.00 0.67 -0.13 0.00 -0.00 0.00 0.00 52.55 53.08 1k5d s ASP 74 Cb 0.00 -2.30 -0.08 0.00 -0.00 0.00 0.00 42.92 40.54 1k5d s ASP 74 CO 0.00 -0.24 0.66 -0.69 -0.00 0.00 0.00 175.17 174.90 1k5d s VAL 75 N 1.91 4.77 -0.07 -1.27 1.01 0.03 -3.70 120.40 123.08 1k5d s VAL 75 Ca 0.24 0.79 -0.09 0.00 0.00 0.00 0.00 61.98 62.92 1k5d s VAL 75 Cb -0.16 -3.64 0.02 0.00 0.00 0.00 0.00 36.38 32.61 1k5d s VAL 75 CO 0.09 -0.09 0.24 -0.54 0.00 0.00 0.00 175.10 174.80 1k5d s LYS 76 N -2.78 0.36 -0.12 2.72 1.02 -0.45 -1.63 119.74 118.85 1k5d s LYS 76 Ca 0.50 0.16 -0.04 0.00 0.02 0.00 0.00 55.97 56.61 1k5d s LYS 76 Cb -0.11 0.17 -0.03 0.00 -0.52 0.00 0.00 37.83 37.33 1k5d s LYS 76 CO 0.19 -0.06 0.02 -0.51 -0.92 0.00 0.00 175.35 174.07 1k5d s LEU 77 N -0.27 3.63 -0.02 3.17 1.43 -0.05 -1.36 118.68 125.21 1k5d s LEU 77 Ca -0.04 0.10 0.01 0.00 -1.03 0.00 0.00 54.13 53.17 1k5d s LEU 77 Cb -0.03 -1.86 0.02 0.00 0.03 0.00 0.00 46.19 44.34 1k5d s LEU 77 CO 0.01 0.29 -0.01 -0.76 0.23 0.00 0.00 176.35 176.11 1k5d s LEU 78 N -0.36 1.51 -0.02 1.79 1.43 -0.66 -1.34 118.68 121.04 1k5d s LEU 78 Ca 0.08 -0.03 0.05 0.00 -1.03 0.00 0.00 54.13 53.20 1k5d s LEU 78 Cb -0.12 -0.17 -0.03 0.00 0.03 0.00 0.00 46.19 45.90 1k5d s LEU 78 CO 0.02 -0.05 -0.16 -0.75 0.23 0.00 0.00 176.35 175.64 1k5d s LYS 79 N 0.57 2.33 0.26 1.70 2.20 -1.26 -0.26 119.74 125.28 1k5d s LYS 79 Ca -0.05 -0.81 -0.24 0.00 -0.36 0.00 0.00 55.97 54.51 1k5d s LYS 79 Cb -0.08 -2.29 -0.09 0.00 -1.51 0.00 0.00 37.83 33.86 1k5d s LYS 79 CO -0.01 0.59 0.85 -1.58 -0.36 0.00 0.00 175.35 174.84 1k5d s HIS 80 N -0.79 3.73 -0.07 4.03 5.65 0.77 -3.84 115.29 124.77 1k5d s HIS 80 Ca 0.13 1.64 -0.25 0.00 0.25 0.00 0.00 55.06 56.83 1k5d s HIS 80 Cb -0.11 -2.80 -0.27 0.00 -1.18 0.00 0.00 32.58 28.22 1k5d s HIS 80 CO 0.02 0.31 0.91 0.87 -0.65 0.00 0.00 174.74 176.20 1k5d h LYS 81 N 3.49 0.17 0.00 2.88 1.57 -1.68 -3.28 116.57 119.72 1k5d h LYS 81 Ca -0.47 -0.25 0.00 0.00 -1.87 0.00 0.00 60.65 58.06 1k5d h LYS 81 Cb 1.19 0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.59 1k5d h LYS 81 CO 0.65 1.06 0.00 0.93 -0.57 0.00 0.00 179.45 181.53 1k5d h GLU 82 N -0.59 0.00 0.00 3.15 4.39 -1.94 -3.44 114.58 116.15 1k5d h GLU 82 Ca -0.06 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.64 1k5d h GLU 82 Cb 1.23 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.88 1k5d h GLU 82 CO 0.07 0.00 0.00 1.63 -1.16 0.00 0.00 179.01 179.55 1k5d n LYS 83 N -3.00 0.23 -0.00 2.33 5.02 -1.24 -5.08 118.16 116.43 1k5d n LYS 83 Ca -0.01 0.00 0.02 0.00 -2.02 0.00 0.00 58.31 56.30 1k5d n LYS 83 Cb 0.20 0.00 -0.02 0.00 -0.02 0.00 0.00 35.03 35.18 1k5d n LYS 83 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1k5d n GLY 84 N 0.29 0.15 3.35 0.72 0.00 -1.26 -4.44 105.19 104.00 1k5d n GLY 84 Ca 0.00 -0.09 -0.50 0.00 0.00 0.00 0.00 46.02 45.43 1k5d n GLY 84 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1k5d n ALA 85 N -1.42 -3.03 -2.57 4.61 0.00 -1.26 -4.36 120.51 112.48 1k5d n ALA 85 Ca -0.00 0.47 -0.22 0.00 0.00 0.00 0.00 53.44 53.68 1k5d n ALA 85 Cb 0.08 -1.61 -0.15 0.00 0.00 0.00 0.00 19.45 17.77 1k5d n ALA 85 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1k5d s ILE 86 N -0.73 1.17 0.15 0.00 1.01 -1.26 -0.16 121.20 121.38 1k5d s ILE 86 Ca 0.69 -0.71 -0.02 0.00 0.00 0.00 0.00 60.65 60.61 1k5d s ILE 86 Cb -0.99 -0.99 -0.04 0.00 0.01 0.00 0.00 42.46 40.45 1k5d s ILE 86 CO 0.55 0.27 0.11 0.00 0.00 0.00 0.00 174.94 175.86 1k5d s ARG 87 N -0.51 1.02 -0.13 2.79 1.70 0.64 -0.97 118.95 123.48 1k5d s ARG 87 Ca 0.05 -1.44 -0.04 0.00 -0.47 0.00 0.00 55.73 53.83 1k5d s ARG 87 Cb -0.06 0.27 -0.04 0.00 -0.57 0.00 0.00 34.95 34.55 1k5d s ARG 87 CO -0.00 -0.31 0.03 -1.17 -1.08 0.00 0.00 175.30 172.77 1k5d s LEU 88 N -3.06 3.69 -0.06 -1.89 0.20 0.66 -1.65 118.68 116.57 1k5d s LEU 88 Ca 0.26 0.11 -0.02 0.00 0.69 0.00 0.00 54.13 55.17 1k5d s LEU 88 Cb 0.07 -1.89 0.04 0.00 -0.43 0.00 0.00 46.19 43.98 1k5d s LEU 88 CO 0.04 0.28 0.10 -0.22 -0.29 0.00 0.00 176.35 176.26 1k5d s LEU 89 N -0.29 0.30 0.02 -0.68 2.96 -0.47 -1.99 118.68 118.53 1k5d s LEU 89 Ca 0.07 0.20 0.04 0.00 -0.22 0.00 0.00 54.13 54.21 1k5d s LEU 89 Cb -0.12 0.09 -0.01 0.00 0.50 0.00 0.00 46.19 46.65 1k5d s LEU 89 CO 0.02 -0.21 -0.11 -0.32 -1.32 0.00 0.00 176.35 174.40 1k5d s MET 90 N 1.89 0.83 0.00 1.98 -2.45 0.18 -1.35 119.30 120.38 1k5d s MET 90 Ca -0.00 -0.56 0.05 0.00 -1.25 0.00 0.00 55.69 53.92 1k5d s MET 90 Cb -0.12 -0.79 -0.01 0.00 1.25 0.00 0.00 34.83 35.15 1k5d s MET 90 CO -0.04 0.20 -0.15 1.03 1.05 0.00 0.00 175.02 177.11 1k5d s ARG 91 N -0.75 1.14 0.46 4.11 0.52 -1.24 -0.61 118.95 122.58 1k5d s ARG 91 Ca 0.01 -0.59 -0.21 0.00 -0.52 0.00 0.00 55.73 54.42 1k5d s ARG 91 Cb -0.06 -1.12 -0.08 0.00 0.52 0.00 0.00 34.95 34.21 1k5d s ARG 91 CO 0.00 0.30 1.05 1.03 0.02 0.00 0.00 175.30 177.71 1k5d s ARG 92 N -0.54 3.89 0.75 3.54 0.52 0.53 -3.86 118.95 123.78 1k5d s ARG 92 Ca 0.05 1.44 -0.14 0.00 -0.52 0.00 0.00 55.73 56.56 1k5d s ARG 92 Cb -0.06 -2.24 0.05 0.00 0.52 0.00 0.00 34.95 33.21 1k5d s ARG 92 CO -0.00 -0.37 1.18 -0.51 0.02 0.00 0.00 175.30 175.62 1k5d s ASP 93 N -1.81 4.17 0.00 0.23 -0.00 -0.87 -0.50 116.67 117.89 1k5d s ASP 93 Ca 0.64 2.25 0.00 0.00 -0.00 0.00 0.00 52.55 55.44 1k5d s ASP 93 Cb -0.19 -2.58 0.00 0.00 -0.00 0.00 0.00 42.92 40.15 1k5d s ASP 93 CO 0.23 -2.28 0.00 0.29 -0.00 0.00 0.00 175.17 173.42 1k5d n LYS 94 N -2.93 0.00 0.04 8.23 4.01 -1.26 -3.82 118.16 122.42 1k5d n LYS 94 Ca 0.12 0.00 -0.08 0.00 -0.51 0.00 0.00 58.31 57.85 1k5d n LYS 94 Cb 0.51 0.00 -0.13 0.00 -0.51 0.00 0.00 35.03 34.90 1k5d n LYS 94 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1k5d h THR 95 N 0.00 1.46 -0.34 -0.18 1.03 -2.00 -3.47 112.91 109.41 1k5d h THR 95 Ca 0.00 -3.21 -0.15 0.00 -0.01 0.00 0.00 66.41 63.04 1k5d h THR 95 Cb 0.00 2.73 -0.06 0.00 -1.07 0.00 0.00 68.15 69.75 1k5d h THR 95 CO 0.00 0.83 -0.13 0.18 -0.01 0.00 0.00 175.52 176.39 1k5d n LEU 96 N -3.26 -0.15 -4.78 0.00 4.32 0.35 -4.99 117.00 108.48 1k5d n LEU 96 Ca -0.05 0.18 -0.35 0.00 -0.02 0.00 0.00 56.01 55.76 1k5d n LEU 96 Cb 0.97 -2.05 -0.02 0.00 -1.62 0.00 0.00 43.42 40.71 1k5d n LEU 96 CO 0.46 -0.75 0.77 -0.54 -1.22 0.00 0.00 177.39 176.12 1k5d s LYS 97 N -2.31 3.66 0.13 3.23 -0.14 -1.26 -4.59 119.74 118.47 1k5d s LYS 97 Ca 0.00 1.58 -0.30 0.00 -1.36 0.00 0.00 55.97 55.88 1k5d s LYS 97 Cb 0.00 -2.19 -0.06 0.00 -1.68 0.00 0.00 37.83 33.90 1k5d s LYS 97 CO 0.00 -0.58 1.06 0.42 -0.76 0.00 0.00 175.35 175.48 1k5d s ILE 98 N -1.76 4.18 0.00 2.17 1.01 -1.26 -0.35 121.20 125.19 1k5d s ILE 98 Ca 0.67 1.78 0.00 0.00 0.00 0.00 0.00 60.65 63.11 1k5d s ILE 98 Cb -0.23 -4.14 0.00 0.00 0.01 0.00 0.00 42.46 38.10 1k5d s ILE 98 CO 0.27 0.26 0.87 0.00 0.00 0.00 0.00 174.94 176.35 1k5d s ALA 100 N -0.75 -2.70 -0.31 0.00 0.00 -1.22 -4.90 121.76 111.88 1k5d s ALA 100 Ca 0.00 2.01 0.06 0.00 0.00 0.00 0.00 51.96 54.03 1k5d s ALA 100 Cb 0.00 -1.99 0.20 0.00 0.00 0.00 0.00 23.12 21.33 1k5d s ALA 100 CO 0.00 -0.58 0.60 1.21 0.00 0.00 0.00 175.76 176.99 1k5d s ASN 101 N 1.60 -1.60 0.08 0.00 2.47 -1.24 -0.64 114.94 115.59 1k5d s ASN 101 Ca -0.06 0.03 -0.15 0.00 0.42 0.00 0.00 52.86 53.10 1k5d s ASN 101 Cb -0.03 2.01 0.03 0.00 -1.45 0.00 0.00 41.25 41.81 1k5d s ASN 101 CO -0.14 -0.27 0.35 -1.38 -3.72 0.00 0.00 177.10 171.93 1k5d s HIS 102 N 2.67 -0.14 0.51 0.43 -3.43 -0.84 -0.99 115.29 113.50 1k5d s HIS 102 Ca 0.11 -0.07 -0.18 0.00 -0.80 0.00 0.00 55.06 54.12 1k5d s HIS 102 Cb -0.09 0.16 -0.08 0.00 -1.43 0.00 0.00 32.58 31.14 1k5d s HIS 102 CO -0.23 -0.59 1.00 0.71 -2.00 0.00 0.00 174.74 173.63 1k5d s TYR 103 N -3.14 3.25 -0.43 0.38 2.02 -1.26 -0.25 117.35 117.93 1k5d s TYR 103 Ca -0.01 1.52 -0.19 0.00 -0.37 0.00 0.00 57.07 58.03 1k5d s TYR 103 Cb 0.01 -2.89 0.02 0.00 -0.40 0.00 0.00 41.96 38.70 1k5d s TYR 103 CO -0.07 -0.54 0.52 0.42 -1.57 0.00 0.00 175.55 174.31 1k5d s ILE 104 N -2.39 4.98 0.61 2.71 1.01 -0.15 -4.84 121.20 123.14 1k5d s ILE 104 Ca 0.62 -0.15 -0.04 0.00 0.00 0.00 0.00 60.65 61.07 1k5d s ILE 104 Cb -0.12 -4.11 0.03 0.00 0.01 0.00 0.00 42.46 38.28 1k5d s ILE 104 CO 0.27 -0.49 0.90 0.42 0.00 0.00 0.00 174.94 176.04 1k5d s THR 105 N 2.41 2.95 0.16 2.92 -4.23 -1.26 -4.79 115.64 113.80 1k5d s THR 105 Ca 0.16 -0.28 -0.16 0.00 -1.18 0.00 0.00 61.69 60.23 1k5d s THR 105 Cb -0.16 -3.19 0.02 0.00 1.34 0.00 0.00 72.50 70.51 1k5d s THR 105 CO 0.16 -0.18 1.80 -0.65 -0.54 0.00 0.00 174.62 175.21 1k5d h PRO 106 N -0.24 0.47 -3.16 3.99 0.11 -1.89 -3.23 132.00 128.05 1k5d h PRO 106 Ca -0.44 -0.03 -0.73 0.00 0.11 0.00 0.00 66.00 64.91 1k5d h PRO 106 Cb 1.29 -0.11 -0.09 0.00 0.11 0.00 0.00 31.00 32.21 1k5d h PRO 106 CO 0.59 0.31 2.74 -0.12 -0.21 0.00 0.00 178.00 181.31 1k5d n MET 107 N -4.86 3.86 -3.69 1.05 1.56 -1.26 -4.85 117.12 108.93 1k5d n MET 107 Ca 0.01 -3.07 -0.11 0.00 -0.27 0.00 0.00 57.70 54.26 1k5d n MET 107 Cb 0.06 -2.85 -0.12 0.00 2.15 0.00 0.00 33.22 32.46 1k5d n MET 107 CO 0.00 0.00 0.00 1.41 -0.73 0.00 0.00 175.97 176.65 1k5d s MET 108 N 0.68 0.27 0.00 2.12 0.00 -1.22 -5.02 119.30 116.12 1k5d s MET 108 Ca 0.52 0.74 0.00 0.00 0.00 0.00 0.00 55.69 56.95 1k5d s MET 108 Cb 0.15 -0.00 0.00 0.00 0.00 0.00 0.00 34.83 34.98 1k5d s MET 108 CO -0.06 -0.20 0.00 -0.85 0.00 0.00 0.00 175.02 173.91 1k5d n GLU 109 N 4.67 2.40 -2.73 4.11 0.00 -1.26 -4.97 120.64 122.85 1k5d n GLU 109 Ca -0.18 0.00 -0.09 0.00 0.00 0.00 0.00 57.16 56.89 1k5d n GLU 109 Cb 0.52 0.00 0.07 0.00 0.00 0.00 0.00 31.44 32.04 1k5d n GLU 109 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 1k5d n LEU 110 N 0.00 -0.56 -4.60 -1.84 4.77 -1.26 -4.72 117.00 108.79 1k5d n LEU 110 Ca 0.00 -3.72 -0.51 0.00 -0.03 0.00 0.00 56.01 51.75 1k5d n LEU 110 Cb 0.00 0.33 -0.06 0.00 -2.33 0.00 0.00 43.42 41.37 1k5d n LEU 110 CO 0.00 1.84 0.96 0.29 -1.33 0.00 0.00 177.39 179.14 1k5d n LYS 111 N -0.22 1.32 -0.63 3.23 5.02 -1.14 -4.37 118.16 121.36 1k5d n LYS 111 Ca 0.05 0.48 -0.31 0.00 -2.02 0.00 0.00 58.31 56.51 1k5d n LYS 111 Cb 0.80 -2.14 0.19 0.00 -0.02 0.00 0.00 35.03 33.86 1k5d n LYS 111 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 1k5d n PRO 112 N 2.70 -0.97 -3.61 1.97 -0.02 -1.26 -1.69 135.00 132.12 1k5d n PRO 112 Ca 0.18 -0.23 -0.40 0.00 -2.02 0.00 0.00 63.50 61.03 1k5d n PRO 112 Cb 0.21 -2.27 -0.10 0.00 -0.02 0.00 0.00 33.50 31.32 1k5d n PRO 112 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 1k5d s ASN 113 N -2.51 5.61 0.00 2.55 2.47 -1.21 -4.75 114.94 117.10 1k5d s ASN 113 Ca 0.66 -1.64 0.00 0.00 0.42 0.00 0.00 52.86 52.30 1k5d s ASN 113 Cb -0.23 -1.98 0.00 0.00 -1.45 0.00 0.00 41.25 37.59 1k5d s ASN 113 CO 0.61 -0.57 0.00 0.00 -3.72 0.00 0.00 177.10 173.42 1k5d n ALA 114 N 4.89 0.00 -1.00 1.71 0.00 -1.26 -4.06 120.51 120.79 1k5d n ALA 114 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.35 1k5d n ALA 114 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.87 1k5d n ALA 114 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1k5d n GLY 115 N 0.00 0.35 1.13 0.00 0.00 -1.26 -5.00 105.19 100.41 1k5d n GLY 115 Ca 0.00 -0.48 0.12 0.00 0.00 0.00 0.00 46.02 45.66 1k5d n GLY 115 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1k5d n SER 116 N 0.00 -5.64 0.00 1.61 2.88 -1.26 -4.91 113.62 106.30 1k5d n SER 116 Ca 0.00 0.73 0.00 0.00 -1.33 0.00 0.00 58.87 58.27 1k5d n SER 116 Cb 0.00 -3.65 0.00 0.00 -0.75 0.00 0.00 64.21 59.81 1k5d n SER 116 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 1k5d n ASP 117 N -4.18 0.00 -0.09 -3.46 5.75 -1.26 -4.83 116.55 108.48 1k5d n ASP 117 Ca -0.03 -1.00 0.04 0.00 -0.01 0.00 0.00 54.79 53.79 1k5d n ASP 117 Cb 0.60 0.00 0.05 0.00 -1.03 0.00 0.00 41.12 40.74 1k5d n ASP 117 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1k5d n ARG 118 N 0.00 1.56 -4.80 0.11 3.00 -1.26 -4.31 116.66 110.96 1k5d n ARG 118 Ca 0.00 -1.70 -0.26 0.00 -0.01 0.00 0.00 57.85 55.88 1k5d n ARG 118 Cb 0.43 -1.05 -0.16 0.00 0.00 0.00 0.00 32.46 31.68 1k5d n ARG 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1k5d s ALA 119 N -1.43 1.49 0.15 7.54 0.00 -1.26 -1.24 121.76 127.01 1k5d s ALA 119 Ca 0.12 -0.66 0.10 0.00 0.00 0.00 0.00 51.96 51.52 1k5d s ALA 119 Cb 0.10 -0.51 -0.04 0.00 0.00 0.00 0.00 23.12 22.67 1k5d s ALA 119 CO 0.01 0.25 -0.22 -1.58 0.00 0.00 0.00 175.76 174.23 1k5d s TRP 120 N 0.11 2.05 -0.01 0.00 0.23 -0.90 -3.36 118.94 117.06 1k5d s TRP 120 Ca -0.05 -0.41 0.01 0.00 -2.03 0.00 0.00 56.10 53.62 1k5d s TRP 120 Cb -0.12 -1.05 0.00 0.00 0.03 0.00 0.00 33.47 32.33 1k5d s TRP 120 CO 0.02 0.36 -0.05 0.14 0.96 0.00 0.00 176.95 178.39 1k5d s VAL 121 N -1.57 0.40 0.25 4.03 -7.23 -0.68 -1.61 120.40 113.99 1k5d s VAL 121 Ca 0.15 -0.18 -0.00 0.00 -1.81 0.00 0.00 61.98 60.14 1k5d s VAL 121 Cb -0.08 -0.36 0.00 0.00 0.56 0.00 0.00 36.38 36.50 1k5d s VAL 121 CO 0.07 0.13 0.34 -2.67 -0.31 0.00 0.00 175.10 172.66 1k5d n TRP 122 N 3.19 -1.09 -4.38 2.82 2.14 -1.19 -2.88 117.44 116.04 1k5d n TRP 122 Ca -0.16 -1.76 -0.20 0.00 2.07 0.00 0.00 57.50 57.45 1k5d n TRP 122 Cb 0.57 0.38 -0.10 0.00 -0.81 0.00 0.00 31.31 31.34 1k5d n TRP 122 CO 0.00 0.00 0.00 1.21 2.07 0.00 0.00 177.69 180.97 1k5d s ASN 123 N -2.60 2.88 -0.16 -0.67 3.04 -1.26 -2.35 114.94 113.82 1k5d s ASN 123 Ca 0.22 -1.02 -0.10 0.00 0.04 0.00 0.00 52.86 52.00 1k5d s ASN 123 Cb -0.00 -0.19 0.05 0.00 -1.54 0.00 0.00 41.25 39.57 1k5d s ASN 123 CO 0.16 -0.10 0.40 -0.89 -3.04 0.00 0.00 177.10 173.62 1k5d s THR 124 N -2.81 -0.02 -1.08 -5.21 2.01 -0.61 -4.96 115.64 102.96 1k5d s THR 124 Ca 0.25 0.07 0.28 0.00 0.31 0.00 0.00 61.69 62.60 1k5d s THR 124 Cb -0.02 -0.58 0.22 0.00 0.01 0.00 0.00 72.50 72.13 1k5d s THR 124 CO 0.09 0.03 1.81 1.41 -0.69 0.00 0.00 174.62 177.27 1k5d n HIS 125 N 3.89 0.00 -3.17 4.92 -0.00 -1.26 -1.15 115.22 118.46 1k5d n HIS 125 Ca -0.21 0.00 0.01 0.00 -0.00 0.00 0.00 57.72 57.52 1k5d n HIS 125 Cb 0.56 -0.40 -0.01 0.00 -0.00 0.00 0.00 29.99 30.14 1k5d n HIS 125 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1k5d s ALA 126 N -2.93 -2.56 0.30 -1.41 0.00 -1.26 -3.88 121.76 110.02 1k5d s ALA 126 Ca 0.16 0.35 -0.12 0.00 0.00 0.00 0.00 51.96 52.35 1k5d s ALA 126 Cb 0.19 -2.75 -0.08 0.00 0.00 0.00 0.00 23.12 20.47 1k5d s ALA 126 CO 0.56 -2.22 0.67 0.34 0.00 0.00 0.00 175.76 175.10 1k5d s ASP 127 N 1.91 6.68 -0.13 0.00 2.15 0.41 -4.66 116.67 123.03 1k5d s ASP 127 Ca 0.16 1.11 0.17 0.00 0.43 0.00 0.00 52.55 54.42 1k5d s ASP 127 Cb -0.04 -2.31 0.42 0.00 -0.30 0.00 0.00 42.92 40.70 1k5d s ASP 127 CO -0.09 -0.18 1.20 0.33 -0.17 0.00 0.00 175.17 176.27 1k5d n PHE 128 N -0.41 0.00 0.04 -5.34 7.35 -0.16 -2.03 117.46 116.91 1k5d n PHE 128 Ca 0.02 -1.12 0.05 0.00 -0.76 0.00 0.00 57.45 55.65 1k5d n PHE 128 Cb 0.53 -0.21 0.47 0.00 0.35 0.00 0.00 39.48 40.62 1k5d n PHE 128 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1k5d h ALA 129 N 1.00 1.79 -0.50 3.13 0.00 -1.84 -1.01 119.26 121.82 1k5d h ALA 129 Ca -0.09 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 1k5d h ALA 129 Cb 1.34 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 1k5d h ALA 129 CO 0.04 0.18 0.02 -0.25 0.00 0.00 0.00 179.25 179.24 1k5d n ASP 130 N -4.48 5.18 -3.27 0.00 8.00 -1.26 -4.78 116.55 115.94 1k5d n ASP 130 Ca 0.03 -2.99 -0.23 0.00 0.71 0.00 0.00 54.79 52.31 1k5d n ASP 130 Cb 0.09 -0.66 0.00 0.00 -0.02 0.00 0.00 41.12 40.54 1k5d n ASP 130 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1k5d n GLU 131 N 0.25 -3.68 -3.69 -1.24 1.02 -0.38 -4.93 120.64 107.98 1k5d n GLU 131 Ca 0.27 0.56 -0.13 0.00 -0.02 0.00 0.00 57.16 57.85 1k5d n GLU 131 Cb 1.14 -5.30 -0.13 0.00 -0.02 0.00 0.00 31.44 27.12 1k5d n GLU 131 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1k5d n PRO 133 N 4.84 2.20 -3.73 0.00 -0.02 -1.26 -4.54 135.00 132.49 1k5d n PRO 133 Ca -0.15 0.71 -0.14 0.00 -2.02 0.00 0.00 63.50 61.90 1k5d n PRO 133 Cb 0.51 -3.02 -0.14 0.00 -0.02 0.00 0.00 33.50 30.83 1k5d n PRO 133 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1k5d s LYS 134 N 5.46 0.11 0.63 -0.52 1.02 -0.86 -4.94 119.74 120.64 1k5d s LYS 134 Ca 0.97 0.45 -0.19 0.00 0.02 0.00 0.00 55.97 57.23 1k5d s LYS 134 Cb -0.46 -0.17 -0.02 0.00 -0.52 0.00 0.00 37.83 36.66 1k5d s LYS 134 CO 0.41 -0.19 1.30 -2.14 -0.92 0.00 0.00 175.35 173.81 1k5d s PRO 135 N 1.42 2.66 -0.04 -1.68 0.02 -1.25 -0.45 135.00 135.68 1k5d s PRO 135 Ca -0.07 2.09 -0.17 0.00 0.02 0.00 0.00 61.00 62.88 1k5d s PRO 135 Cb -0.11 -1.92 0.03 0.00 0.02 0.00 0.00 34.50 32.52 1k5d s PRO 135 CO -0.07 -1.52 0.37 -2.00 -0.33 0.00 0.00 177.00 173.45 1k5d s GLU 136 N -3.30 0.68 -0.49 5.54 2.56 -0.30 -4.82 118.70 118.58 1k5d s GLU 136 Ca 0.81 -0.01 0.03 0.00 0.00 0.00 0.00 54.97 55.80 1k5d s GLU 136 Cb -0.38 0.31 0.13 0.00 2.00 0.00 0.00 34.13 36.19 1k5d s GLU 136 CO 0.41 -0.18 0.24 -1.17 -0.56 0.00 0.00 175.26 174.00 1k5d s LEU 137 N -1.05 3.93 0.00 2.70 0.20 -1.26 -1.57 118.68 121.63 1k5d s LEU 137 Ca -0.11 -2.87 -0.05 0.00 0.69 0.00 0.00 54.13 51.79 1k5d s LEU 137 Cb -0.04 -1.49 0.10 0.00 -0.43 0.00 0.00 46.19 44.33 1k5d s LEU 137 CO 0.04 -0.25 0.62 0.18 -0.29 0.00 0.00 176.35 176.65 1k5d n LEU 138 N 3.29 0.00 -3.47 -0.68 4.77 -0.99 -2.63 117.00 117.29 1k5d n LEU 138 Ca 0.06 -0.89 0.02 0.00 -0.03 0.00 0.00 56.01 55.17 1k5d n LEU 138 Cb 0.33 -0.45 -0.05 0.00 -2.33 0.00 0.00 43.42 40.92 1k5d n LEU 138 CO 0.31 -0.89 0.86 0.00 -1.33 0.00 0.00 177.39 176.33 1k5d s ALA 139 N -3.58 -2.79 -0.03 -1.18 0.00 -0.92 -3.18 121.76 110.08 1k5d s ALA 139 Ca 0.37 1.97 0.05 0.00 0.00 0.00 0.00 51.96 54.36 1k5d s ALA 139 Cb -0.01 -2.04 -0.01 0.00 0.00 0.00 0.00 23.12 21.05 1k5d s ALA 139 CO 0.25 -0.62 -0.19 -1.50 0.00 0.00 0.00 175.76 173.70 1k5d s ILE 140 N 1.63 1.54 0.10 0.00 2.07 -0.64 0.10 121.20 126.00 1k5d s ILE 140 Ca -0.05 -0.81 0.07 0.00 -1.41 0.00 0.00 60.65 58.46 1k5d s ILE 140 Cb -0.03 -1.30 -0.04 0.00 0.13 0.00 0.00 42.46 41.22 1k5d s ILE 140 CO -0.14 0.44 -0.12 -0.60 -1.91 0.00 0.00 174.94 172.62 1k5d s ARG 141 N -0.24 2.08 0.30 3.50 3.52 -0.43 -2.11 118.95 125.58 1k5d s ARG 141 Ca 0.02 -1.04 0.06 0.00 -0.13 0.00 0.00 55.73 54.65 1k5d s ARG 141 Cb -0.10 -2.28 -0.06 0.00 -1.56 0.00 0.00 34.95 30.96 1k5d s ARG 141 CO 0.01 0.51 -0.04 -0.06 -0.81 0.00 0.00 175.30 174.91 1k5d s PHE 142 N -1.19 2.05 0.06 5.12 0.08 -0.37 -2.14 117.98 121.60 1k5d s PHE 142 Ca 0.20 -0.72 -0.26 0.00 0.12 0.00 0.00 56.93 56.28 1k5d s PHE 142 Cb -0.11 -1.22 -0.17 0.00 -0.57 0.00 0.00 43.02 40.95 1k5d s PHE 142 CO 0.13 0.28 1.60 1.25 -0.10 0.00 0.00 175.22 178.38 1k5d h LEU 143 N 2.18 -0.25 -9.37 -0.37 5.85 -1.90 -3.45 115.31 108.01 1k5d h LEU 143 Ca -0.41 -0.06 -0.61 0.00 0.84 0.00 0.00 57.88 57.64 1k5d h LEU 143 Cb 1.24 0.07 -0.13 0.00 0.37 0.00 0.00 40.66 42.20 1k5d h LEU 143 CO 0.69 -0.10 -0.71 0.20 -0.34 0.00 0.00 178.44 178.18 1k5d s ASN 144 N -5.01 4.30 0.24 1.25 0.01 -1.26 -5.00 114.94 109.48 1k5d s ASN 144 Ca -0.15 -0.61 0.24 0.00 -0.71 0.00 0.00 52.86 51.64 1k5d s ASN 144 Cb 0.04 -0.74 0.94 0.00 0.41 0.00 0.00 41.25 41.91 1k5d s ASN 144 CO 0.64 0.08 1.73 0.00 -1.51 0.00 0.00 177.10 178.03 1k5d n ALA 145 N -0.17 1.82 0.09 0.60 0.00 -1.26 -1.83 120.51 119.75 1k5d n ALA 145 Ca -0.10 0.06 -0.04 0.00 0.00 0.00 0.00 53.44 53.36 1k5d n ALA 145 Cb 0.56 -1.41 -0.04 0.00 0.00 0.00 0.00 19.45 18.57 1k5d n ALA 145 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 1k5d h GLU 146 N 0.00 0.00 0.06 0.00 -0.00 -1.94 -2.89 114.58 109.81 1k5d h GLU 146 Ca 0.00 0.00 -0.27 0.00 -0.00 0.00 0.00 59.36 59.09 1k5d h GLU 146 Cb 0.46 0.00 0.02 0.00 -0.00 0.00 0.00 28.75 29.22 1k5d h GLU 146 CO 0.00 0.84 -1.11 -0.91 -0.00 0.00 0.00 179.01 177.83 1k5d h ASN 147 N 0.00 0.71 -0.53 3.06 2.35 -1.75 -2.40 115.58 117.02 1k5d h ASN 147 Ca -0.01 -0.62 0.07 0.00 -0.55 0.00 0.00 56.30 55.19 1k5d h ASN 147 Cb 1.58 -0.22 -0.03 0.00 0.05 0.00 0.00 38.32 39.70 1k5d h ASN 147 CO 0.11 1.43 0.35 0.00 -1.65 0.00 0.00 177.43 177.68 1k5d h ALA 148 N 0.50 1.96 -0.04 -0.83 0.00 -1.41 -0.22 119.26 119.22 1k5d h ALA 148 Ca -0.13 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.63 1k5d h ALA 148 Cb 1.77 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 19.48 1k5d h ALA 148 CO 0.20 -0.06 -0.48 1.96 0.00 0.00 0.00 179.25 180.87 1k5d h GLN 149 N 0.41 0.40 -0.69 0.00 1.08 -1.38 0.51 115.11 115.44 1k5d h GLN 149 Ca 0.23 -0.37 0.05 0.00 -1.45 0.00 0.00 58.65 57.11 1k5d h GLN 149 Cb 0.39 0.09 -0.04 0.00 -0.05 0.00 0.00 27.48 27.87 1k5d h GLN 149 CO -0.06 1.03 0.46 0.87 -0.95 0.00 0.00 178.83 180.18 1k5d h LYS 150 N -0.10 0.75 -0.00 1.46 1.57 -0.79 0.64 116.57 120.10 1k5d h LYS 150 Ca -0.05 -0.05 -0.10 0.00 -1.87 0.00 0.00 60.65 58.58 1k5d h LYS 150 Cb 1.17 -0.17 0.01 0.00 0.08 0.00 0.00 32.23 33.32 1k5d h LYS 150 CO 0.10 0.50 -0.41 0.35 -0.57 0.00 0.00 179.45 179.42 1k5d h PHE 151 N 0.77 0.41 -0.16 -1.35 3.57 -1.07 -2.83 116.94 116.28 1k5d h PHE 151 Ca 0.29 -0.22 0.02 0.00 3.53 0.00 0.00 57.97 61.59 1k5d h PHE 151 Cb 0.16 -0.05 -0.02 0.00 2.79 0.00 0.00 35.95 38.83 1k5d h PHE 151 CO -0.00 1.03 0.02 -0.22 -2.23 0.00 0.00 178.31 176.91 1k5d h LYS 152 N -0.33 0.08 -0.14 1.11 3.64 -0.09 0.12 116.57 120.96 1k5d h LYS 152 Ca -0.05 -0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.34 1k5d h LYS 152 Cb 1.14 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.93 1k5d h LYS 152 CO 0.08 0.05 0.05 0.00 -2.27 0.00 0.00 179.45 177.37 1k5d h THR 153 N 0.08 0.98 -0.76 1.00 1.03 0.15 0.72 112.91 116.11 1k5d h THR 153 Ca 0.07 -0.04 0.01 0.00 -0.01 0.00 0.00 66.41 66.43 1k5d h THR 153 Cb 0.07 0.84 -0.04 0.00 -1.07 0.00 0.00 68.15 67.96 1k5d h THR 153 CO -0.11 0.02 0.50 0.50 -0.01 0.00 0.00 175.52 176.42 1k5d h LYS 154 N 0.13 1.01 -0.21 0.00 1.63 -1.27 -2.43 116.57 115.43 1k5d h LYS 154 Ca 0.06 -0.07 -0.01 0.00 -0.85 0.00 0.00 60.65 59.78 1k5d h LYS 154 Cb 0.02 -0.23 -0.01 0.00 -0.60 0.00 0.00 32.23 31.42 1k5d h LYS 154 CO -0.05 0.68 0.10 0.35 -3.45 0.00 0.00 179.45 177.08 1k5d h PHE 155 N 1.04 0.30 -0.17 1.91 3.57 -0.38 -2.38 116.94 120.82 1k5d h PHE 155 Ca 0.28 -0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.82 1k5d h PHE 155 Cb -0.10 -0.09 -0.06 0.00 2.79 0.00 0.00 35.95 38.48 1k5d h PHE 155 CO -0.02 0.30 -0.24 0.93 -2.23 0.00 0.00 178.31 177.04 1k5d h GLU 156 N 0.21 -0.28 -0.66 1.11 3.07 -0.46 -0.59 114.58 116.98 1k5d h GLU 156 Ca 0.07 0.02 -0.06 0.00 -0.50 0.00 0.00 59.36 58.89 1k5d h GLU 156 Cb 0.11 0.06 -0.03 0.00 -0.84 0.00 0.00 28.75 28.05 1k5d h GLU 156 CO -0.01 -0.19 0.18 1.05 -1.40 0.00 0.00 179.01 178.65 1k5d h GLU 157 N -0.29 1.02 -0.72 2.33 4.11 -1.41 0.07 114.58 119.69 1k5d h GLU 157 Ca 0.11 -0.22 -0.02 0.00 0.07 0.00 0.00 59.36 59.31 1k5d h GLU 157 Cb 0.46 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.53 1k5d h GLU 157 CO -0.34 0.89 0.38 0.00 0.07 0.00 0.00 179.01 180.01 1k5d h ARG 159 N 1.01 0.65 0.49 0.00 1.12 -0.47 -2.11 114.38 115.06 1k5d h ARG 159 Ca 0.25 -0.26 -0.02 0.00 -1.11 0.00 0.00 59.98 58.83 1k5d h ARG 159 Cb 0.05 -0.03 0.00 0.00 -0.01 0.00 0.00 29.97 29.99 1k5d h ARG 159 CO -0.04 0.84 -0.23 -0.22 -3.11 0.00 0.00 179.97 177.21 1k5d h LYS 160 N 0.56 -0.63 -0.86 0.20 3.64 0.22 -0.40 116.57 119.30 1k5d h LYS 160 Ca 0.08 0.04 0.15 0.00 -1.27 0.00 0.00 60.65 59.65 1k5d h LYS 160 Cb 0.74 0.14 -0.10 0.00 -0.41 0.00 0.00 32.23 32.60 1k5d h LYS 160 CO 0.06 -0.33 0.44 1.49 -2.27 0.00 0.00 179.45 178.83 1k5d h GLU 161 N -0.87 0.59 -0.57 1.90 4.81 -0.77 0.80 114.58 120.47 1k5d h GLU 161 Ca -0.07 -0.04 -0.11 0.00 -0.13 0.00 0.00 59.36 59.02 1k5d h GLU 161 Cb 0.59 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.81 1k5d h GLU 161 CO 0.11 0.39 -0.06 0.82 -0.73 0.00 0.00 179.01 179.54 1k5d h ILE 162 N 0.61 1.27 -0.64 2.32 2.04 -1.26 -1.18 117.51 120.67 1k5d h ILE 162 Ca 0.48 -1.21 0.03 0.00 1.00 0.00 0.00 64.86 65.15 1k5d h ILE 162 Cb 0.70 0.89 -0.04 0.00 -0.74 0.00 0.00 36.82 37.62 1k5d h ILE 162 CO -0.38 0.43 0.39 -0.08 0.00 0.00 0.00 178.15 178.52 1k5d h GLU 163 N 0.94 0.74 0.80 2.37 4.81 0.88 -2.82 114.58 122.29 1k5d h GLU 163 Ca 0.15 -0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 59.30 1k5d h GLU 163 Cb 0.62 -0.17 0.01 0.00 0.63 0.00 0.00 28.75 29.84 1k5d h GLU 163 CO 0.04 0.49 -0.38 0.93 -0.73 0.00 0.00 179.01 179.36 1k5d h GLU 164 N 0.76 -1.03 0.00 1.92 5.08 -0.98 -3.38 114.58 116.95 1k5d h GLU 164 Ca 0.26 0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.69 1k5d h GLU 164 Cb 0.03 0.24 0.00 0.00 0.50 0.00 0.00 28.75 29.52 1k5d h GLU 164 CO -0.11 -0.69 0.00 -2.13 -1.00 0.00 0.00 179.01 175.08 1k5d n ARG 165 N -4.91 0.00 -1.72 2.33 0.63 -0.47 -4.10 116.66 108.43 1k5d n ARG 165 Ca -0.13 0.00 -0.59 0.00 -0.92 0.00 0.00 57.85 56.21 1k5d n ARG 165 Cb 0.42 0.00 -0.08 0.00 0.45 0.00 0.00 32.46 33.26 1k5d n ARG 165 CO 0.00 0.00 0.00 -0.85 -2.51 0.00 0.00 177.63 174.27 1k5d n GLU 166 N 0.00 0.98 -0.20 -0.14 0.00 -1.26 -5.12 120.64 114.91 1k5d n GLU 166 Ca 0.00 0.36 0.00 0.00 0.00 0.00 0.00 57.16 57.52 1k5d n GLU 166 Cb 0.00 -2.02 0.00 0.00 0.00 0.00 0.00 31.44 29.42 1k5d n GLU 166 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76